SCHEMBL5580657

SCHEMBL5580657

CCc1ccccc1NC(=O)C(=O)Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
HTT P42858 3/20 0.55
LMNA P02545 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 4/20 0.53
GAA P10253 2/20 0.53
POLB P06746 2/20 0.53
GRIN2D O15399 1/20 0.53
GRIN3B O60391 1/20 0.53
GRIN1 Q05586 1/20 0.53
GRIN2A Q12879 1/20 0.53
GRIN2B Q13224 1/20 0.53
GRIN2C Q14957 1/20 0.53
GRIN3A Q8TCU5 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2349955 0.88 MAPT (0.61) MAPTHTTLMNANPSR1L3MBTL1
SCHEMBL11741381 0.85 MAPT (0.56) MAPTHTTLMNANPSR1L3MBTL1
SCHEMBL21551505 0.83 MAPT (0.60) MAPTHTTLMNANPSR1L3MBTL1
SCHEMBL10948113 0.83 MAPT (0.54) MAPTHTTLMNANPSR1L3MBTL1
SCHEMBL9115683 0.81 GRIN2D (0.61) MAPTHTTLMNANPSR1L3MBTL1
SCHEMBL29452944 0.81 GRIN2D (0.61) MAPTHTTLMNANPSR1L3MBTL1
SCHEMBL10951960 0.80 MAPT (0.55) MAPTHTTLMNANPSR1L3MBTL1
SCHEMBL948318 0.80 MAPT (0.59) MAPTHTTLMNANPSR1L3MBTL1
SCHEMBL29580443 0.80 HTT (0.72) MAPTHTTALDH1A1GAAPOLB
SCHEMBL9717979 0.80 HTT (0.72) MAPTHTTALDH1A1GAAPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276511-B2 Benzylamine derivative ZERIA PHARMACEUTICAL CO., LTD. (JP) 2007-10-02 US disclosed
US-20060194841-A1 E.g., N-{2-(3,4-dichlorophenyl)-2-[(3,3-diphenylpropionyl)-methylamino]-4-{spiro[benzo(c)thiophene-1(3H),4'-piperidine]-(2S)-oxide}-1'-yl-butyl}-3,3,3-trifluoro-N-methyl-propionamide hydrochloride, NK-1 or NK-2 receptor antagonists; irritable bowel syndrome, pain, anxiety, COPD, headaches and vomiting ZERIA PHARMACEUTICAL CO., LTD. (JP) 2006-08-31 US disclosed
EP-1650189-A1 BENZYLAMINE DERIVATIVE Zeria Pharmaceutical Co., Ltd. (JP) 2006-04-26 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060194841-A1 E.g., N-{2-(3,4-dichlorophenyl)-2-[(3,3-diphenylpropionyl)-methylamino]-4-{spiro[benzo(c)thiophene-1(3H),4'-piperidine]-(2S)-oxide}-1'-yl-butyl}-3,3,3-trifluoro-N-methyl-propionamide hydrochloride, NK-1 or NK-2 receptor antagonists; irritable bowel syndrome, pain, anxiety, COPD, headaches and vomiting KCNAB1, BDKRB2, ARRB1 MAPT 4040/4885HTT 3709/4885LMNA 3471/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.